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channels:
- defaults
- conda-forge
dependencies:
- _libgcc_mutex=0.1=main
- _openmp_mutex=5.1=1_gnu
- bzip2=1.0.8=h5eee18b_5
- ca-certificates=2024.3.11=h06a4308_0
- ld_impl_linux-64=2.38=h1181459_1
- libffi=3.4.4=h6a678d5_0
- libgcc-ng=11.2.0=h1234567_1
- libgomp=11.2.0=h1234567_1
- libstdcxx-ng=11.2.0=h1234567_1
- libuuid=1.41.5=h5eee18b_0
- ncurses=6.4=h6a678d5_0
- openssl=3.0.13=h7f8727e_0
- pip=23.3.1=py311h06a4308_0
- python=3.11.8=h955ad1f_0
- readline=8.2=h5eee18b_0
- setuptools=68.2.2=py311h06a4308_0
- sqlite=3.41.2=h5eee18b_0
- tk=8.6.12=h1ccaba5_0
- wheel=0.41.2=py311h06a4308_0
- xz=5.4.6=h5eee18b_0
- zlib=1.2.13=h5eee18b_0
- pip:
- absl-py==2.1.0
- aiofiles==23.2.1
- aiohttp==3.9.3
- aioitertools==0.11.0
- aiosignal==1.3.1
- aiosqlite==0.20.0
- alembic==1.13.1
- alignn==2024.5.27
- altair==5.3.0
- annotated-types==0.6.0
- anyio==3.7.1
- appdirs==1.4.4
- apprise==1.7.5
- ase==3.23.0
- asgi-lifespan==2.1.0
- asttokens==2.4.1
- async-timeout==4.0.3
- asyncpg==0.29.0
- atomate2==0.0.14.post30+g256b39a1
- attrs==23.2.0
- autograd==1.5
- autoray==0.6.9
- bcrypt==4.1.2
- bidict==0.23.1
- blinker==1.7.0
- blosc2==2.7.0
- boto3==1.34.74
- botocore==1.34.74
- cachetools==5.3.3
- certifi==2024.7.4
- cffi==1.16.0
- charset-normalizer==3.3.2
- chgnet==0.3.5
- click==8.1.7
- cloudpickle==3.0.0
- colorama==0.4.6
- comm==0.2.2
- contourpy==1.2.0
- coolname==2.2.0
- covalent==0.232.0.post1
- croniter==2.0.3
- cryptography==42.0.5
- custodian==2024.3.12
- cycler==0.12.1
- cython==3.0.10
- dask==2024.3.1
- dask-jobqueue==0.8.5
- dateparser==1.2.0
- debugpy==1.8.1
- decorator==5.1.1
- dgl==2.3.0+cu121
- distributed==2024.3.1
- dnspython==2.6.1
- docker==6.1.3
- docker-pycreds==0.4.0
- e3nn==0.5.1
- email-validator==2.1.1
- emmet-core==0.82.1
- executing==2.0.1
- fairchem-core==1.0.0
- fastapi==0.110.0
- fastjsonschema==2.20.0
- filelock==3.15.4
- fireworks==2.0.3
- flake8==7.1.0
- flask==3.0.2
- flask-paginate==2024.3.28
- fonttools==4.50.0
- frozenlist==1.4.1
- fsspec==2024.6.1
- furl==2.1.3
- future==1.0.0
- gitdb==4.0.11
- gitpython==3.1.43
- google-auth==2.29.0
- gpaw==24.7.0b1
- greenlet==3.0.3
- griffe==0.42.1
- grpcio==1.64.1
- gunicorn==21.2.0
- h11==0.14.0
- h2==4.1.0
- h5py==3.10.0
- hpack==4.0.0
- httpcore==1.0.5
- httptools==0.6.1
- httpx==0.27.0
- huggingface-hub==0.22.2
- hyperframe==6.0.1
- idna==3.7
- importlib-metadata==7.1.0
- importlib-resources==6.1.3
- inflect==7.3.1
- ipykernel==6.29.4
- ipython==8.22.2
- ipywidgets==8.1.2
- itsdangerous==2.1.2
- jarvis-tools==2024.5.10
- jedi==0.19.1
- jinja2==3.1.4
- jmespath==1.0.1
- jobflow==0.1.17
- joblib==1.3.2
- jsonpatch==1.33
- jsonpointer==2.4
- jsonschema==4.21.1
- jsonschema-specifications==2023.12.1
- jupyter-client==8.6.1
- jupyter-core==5.7.2
- jupyterlab-widgets==3.0.10
- kiwisolver==1.4.5
- kubernetes==29.0.0
- latexcodec==3.0.0
- lightning-utilities==0.11.2
- llvmlite==0.42.0
- lmdb==1.4.1
- lmdbm==0.0.5
- locket==1.0.0
- looseversion==1.3.0
- mace-torch==0.3.4
- maggma==0.64.0
- mako==1.3.2
- markdown==3.6
- markdown-it-py==2.2.0
- markupsafe==2.1.5
- matgl==1.0.0
- matplotlib==3.8.3
- matplotlib-inline==0.1.6
- matscipy==1.0.0
- mccabe==0.7.0
- mdurl==0.1.2
- mlip-arena==0.0.1
- mongogrant==0.3.3
- mongomock==4.1.2
- monty==2024.2.26
- more-itertools==10.3.0
- mp-api==0.41.2
- mpire==2.10.1
- mpmath==1.3.0
- msgpack==1.0.8
- multidict==6.0.5
- natsort==8.4.0
- nbformat==5.10.4
- ndindex==1.8
- nest-asyncio==1.6.0
- networkx==3.3
- numba==0.59.1
- numexpr==2.10.1
- numpy==1.26.4
- nvidia-cublas-cu12==12.1.3.1
- nvidia-cuda-cupti-cu12==12.1.105
- nvidia-cuda-nvrtc-cu12==12.1.105
- nvidia-cuda-runtime-cu12==12.1.105
- nvidia-cudnn-cu12==8.9.2.26
- nvidia-cufft-cu12==11.0.2.54
- nvidia-curand-cu12==10.3.2.106
- nvidia-cusolver-cu12==11.4.5.107
- nvidia-cusparse-cu12==12.1.0.106
- nvidia-ml-py3==7.352.0
- nvidia-nccl-cu12==2.19.3
- nvidia-nvjitlink-cu12==12.5.82
- nvidia-nvtx-cu12==12.1.105
- oauthlib==3.2.2
- opt-einsum==3.3.0
- opt-einsum-fx==0.1.4
- orderedmultidict==1.0.1
- orjson==3.10.0
- packaging==24.0
- palettable==3.3.3
- pandas==2.2.2
- paramiko==3.4.0
- parso==0.8.3
- partd==1.4.1
- pathspec==0.12.1
- pendulum==2.1.2
- pennylane==0.32.0
- pennylane-lightning==0.33.1
- pexpect==4.9.0
- pillow==10.2.0
- platformdirs==4.2.0
- plotly==5.20.0
- plumed==2.9.0
- prefect==2.16.8
- prefect-dask==0.2.6
- prettytable==3.10.0
- prompt-toolkit==3.0.43
- protobuf==4.25.3
- psutil==6.0.0
- ptyprocess==0.7.0
- pure-eval==0.2.2
- py-cpuinfo==9.0.0
- pyarrow==16.1.0
- pyasn1==0.6.0
- pyasn1-modules==0.4.0
- pybtex==0.24.0
- pycodestyle==2.12.0
- pycparser==2.22
- pydantic==2.6.4
- pydantic-core==2.16.3
- pydantic-settings==2.2.1
- pydash==8.0.0
- pydeck==0.9.1
- pydocstyle==6.3.0
- pyflakes==3.2.0
- pygments==2.17.2
- pymatgen==2024.4.13
- pymongo==4.6.3
- pynacl==1.5.0
- pyparsing==2.4.7
- python-dateutil==2.9.0.post0
- python-dotenv==1.0.1
- python-engineio==4.9.0
- python-graphviz==0.20.3
- python-hostlist==1.23.0
- python-multipart==0.0.9
- python-slugify==8.0.4
- python-socketio==5.11.2
- pytorch-lightning==2.2.1
- pytz==2024.1
- pytzdata==2020.1
- pyyaml==6.0.1
- pyzmq==25.1.2
- readchar==4.0.6
- referencing==0.34.0
- regex==2023.12.25
- requests==2.32.3
- requests-oauthlib==2.0.0
- rfc3339-validator==0.1.4
- rich==13.3.5
- rpds-py==0.18.0
- rsa==4.9
- ruamel-yaml==0.17.40
- ruamel-yaml-clib==0.2.8
- rustworkx==0.14.2
- s3transfer==0.10.1
- safetensors==0.4.2
- scikit-learn==1.4.1.post1
- scipy==1.14.0
- semantic-version==2.10.0
- sentinels==1.0.0
- sentry-sdk==2.7.1
- setproctitle==1.3.3
- shellingham==1.5.4
- simple-websocket==1.0.0
- simplejson==3.19.2
- six==1.16.0
- smart-open==7.0.4
- smmap==5.0.1
- sniffio==1.3.1
- snowballstemmer==2.2.0
- sortedcontainers==2.4.0
- spglib==2.3.1
- sqlalchemy==1.4.52
- sqlalchemy-utils==0.41.2
- sshtunnel==0.4.0
- stack-data==0.6.3
- starlette==0.36.3
- streamlit==1.36.0
- submitit==1.5.1
- sympy==1.12.1
- tables==3.9.2
- tabulate==0.9.0
- tblib==3.0.0
- tenacity==8.2.3
- tensorboard==2.17.0
- tensorboard-data-server==0.7.2
- text-unidecode==1.3
- threadpoolctl==3.4.0
- toml==0.10.2
- toolz==0.12.1
- torch==2.2.1
- torch-dftd==0.4.0
- torch-ema==0.3
- torch-geometric==2.5.2
- torch-scatter==2.1.2+pt22cu121
- torch-sparse==0.6.18+pt22cu121
- torchdata==0.7.1
- torchmetrics==1.3.2
- tornado==6.4
- tqdm==4.66.4
- trainstation==1.0
- traitlets==5.14.2
- triton==2.2.0
- typeguard==4.3.0
- typer==0.12.0
- typer-cli==0.12.0
- typer-slim==0.12.0
- typing-extensions==4.12.2
- tzdata==2024.1
- tzlocal==5.2
- ujson==5.9.0
- uncertainties==3.1.7
- urllib3==2.2.2
- uvicorn==0.18.3
- uvloop==0.19.0
- wandb==0.17.4
- watchdog==4.0.0
- watchfiles==0.21.0
- wcwidth==0.2.13
- websocket-client==1.7.0
- websockets==12.0
- werkzeug==3.0.1
- widgetsnbextension==4.0.10
- wrapt==1.16.0
- wsproto==1.2.0
- xmltodict==0.13.0
- yarl==1.9.4
- zict==3.0.0
- zipp==3.18.1
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